Basic information
- CAS
22275-34-9- Standard SMILES
O=C1NC(=O)C(c2ccccc2)C(=O)N1- InChIKey
HTEHILLCBQWTLP-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 5-Phenylbarbituric acid
- IUPAC
- 5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-phenylbarbituric acid
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
5-Phenylbarbituric acid22275-34-9K7WC3Q1VTHNSC-27182DTXSID10176821RefChem:913572DTXCID0099312244-885-35-phenyl-1,3-diazinane-2,4,6-trione5-Phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-phenyl-2,4,6(1H,3H,5H)-Pyrimidinetrione,5-phenyl-
Show more names
Asparagine Impurity 135-Phenyl-2,4,6-pyrimidinetrione, 97%
5-phenylhexahydropyrimidine-2,4,6-trione5-Phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; NSC 27182EINECS 244-885-3NSC 27182UNII-K7WC3Q1VTHPhenobarbital Impurity 15Cambridge id 5240604Oprea1_165975
Database identifiers
- CAS
22275-34-9- PubChem CID
- 89646
- DTXSID
DTXSID10176821- UNII
- K7WC3Q1VTH
- EC Number
- 244-885-3
- Nikkaji
- J285.470H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
LogP-0.17
Physicochemical properties
- Melting point
- 264 · 264-266 °C
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- solubility
- Dimethylslfoxide, Methanol (heat)
- form
- Solid
- pka
- 1 · pK1:2.544(+1) (25°C)
- color
- White
- FDA UNII
- 7 WC3Q1VTH · K7WC3Q1VTH
Chemistry & industry
Applications
Uses5-Phenylbarbituric Acid is an intermediate in the synthesis ofAlphenal which is a Barbituric Acid (B118650) derivative with anti-convulsive properties. Controlled Substance.
Suppliers11 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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